ChemSpider 2D Image | 3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-7,8-dihydroxy-1H-pyrano[4,3-b][1]benzofuran-1-one | C19H12O7

3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-7,8-dihydroxy-1H-pyrano[4,3-b][1]benzofuran-1-one

  • Molecular FormulaC19H12O7
  • Average mass352.294 Da
  • Monoisotopic mass352.058289 Da
  • ChemSpider ID26339464

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrano[4,3-b]benzofuran-1-one, 3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-7,8-dihydroxy- [ACD/Index Name]
3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-7,8-dihydroxy-1H-pyrano[4,3-b][1]benzofuran-1-on [German] [ACD/IUPAC Name]
3-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-7,8-dihydroxy-1H-pyrano[4,3-b][1]benzofuran-1-one [ACD/IUPAC Name]
3-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-7,8-dihydroxy-1H-pyrano[4,3-b][1]benzofuran-1-one [French] [ACD/IUPAC Name]
Phellibaumin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 578.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 303.8±30.1 °C
Index of Refraction: 1.898
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.78
ACD/KOC (pH 5.5): 468.14
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 32.18
ACD/KOC (pH 7.4): 398.71
Polar Surface Area: 120 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 112.9±3.0 dyne/cm
Molar Volume: 203.8±3.0 cm3

Click to predict properties on the Chemicalize site


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